N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide

C22H25N3O4 — CID 4503166

IUPACN-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)n(CC(C)C)c3ccc(C)cc23)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)12-25-19-10-5-15(3)11-18(19)21(22(25)27)24-23-20(26)13-29-17-8-6-16(28-4)7-9-17/h5-11,14,27H,12-13H2,1-4H3/b24-23+
InChIKeyKENXCJHLVDPJPN-WCWDXBQESA-N
MW395.46 g/mol
LogP5.01
Rot. Bonds7

About N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide

N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide (PubChem CID 4503166) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
PubChem CID4503166
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)n(CC(C)C)c3ccc(C)cc23)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)12-25-19-10-5-15(3)11-18(19)21(22(25)27)24-23-20(26)13-29-17-8-6-16(28-4)7-9-17/h5-11,14,27H,12-13H2,1-4H3/b24-23+
InChIKeyKENXCJHLVDPJPN-WCWDXBQESA-N
XLogP5.01
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminoacetamide
CID 4503165
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 4503009
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
2-(2,4-dichlorophenoxy)-N-[2-hydroxy-5-methyl-1-(3-methylbutyl)indol-3-yl]iminoacetamide
CID 4503375
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863
5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide
CID 4503174
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide (CID 4503166) is N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)/N=N/c2c(O)n(CC(C)C)c3ccc(C)cc23)cc1.
What is the InChIKey of N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide?
The InChIKey is KENXCJHLVDPJPN-WCWDXBQESA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(2)12-25-19-10-5-15(3)11-18(19)21(22(25)27)24-23-20(26)13-29-17-8-6-16(28-4)7-9-17/h5-11,14,27H,12-13H2,1-4H3/b24-23+.
What are the key properties of N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide?
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide has a molecular weight of 395.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 4503166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).